Program ndgcnv

This program converts the North Dakota GAMESS basis sets and orbitals to the format used in the EPolyScat programs

Input data records

  1. iuin, iugeom, iuorb
  2. ecenter

Definition of the input variables

iuin
Input unit which contains NDGAMESS output
iugeom
Output unit for molecular geometry information
iuorb
Output unit for basis set and orbital expansion coefficient information
ecenter(3)
Location of the center of the single center expansion

If iuin > 0 then all of the occupied alpha electron orbitals from iuin are used, otherwise all orbitals are used (so that the number of molecular orbitals is the same as the number of basis functions).